(5S)-5-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one

C32H37FN6O4 — CID 156828919

IUPAC(5S)-5-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one
SMILESCOc1cc(C(=O)N2C[C@H](N)C[C@@H](F)C2)cn2nc(-c3cc4cccc(OC[C@@H]5CCC(=O)N5)c4n3CC3CC3)c(C)c12
InChIInChI=1S/C32H37FN6O4/c1-18-29(36-39-14-21(11-27(42-2)30(18)39)32(41)37-15-22(33)12-23(34)16-37)25-10-20-4-3-5-26(31(20)38(25)13-19-6-7-19)43-17-24-8-9-28(40)35-24/h3-5,10-11,14,19,22-24H,6-9,12-13,15-17,34H2,1-2H3,(H,35,40)/t22-,23-,24+/m1/s1
InChIKeyCYFOPJXHNCFKBO-SMIHKQSGSA-N
MW588.68 g/mol
LogP3.85
Rot. Bonds8

About (5S)-5-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one

(5S)-5-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one (PubChem CID 156828919) has the molecular formula C32H37FN6O4 and a molecular weight of 588.68 g/mol. Its IUPAC name is (5S)-5-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one
PubChem CID156828919
Molecular FormulaC32H37FN6O4
Molecular Weight588.68 g/mol
Exact Mass588.29
IUPAC Name(5S)-5-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one
SMILESCOc1cc(C(=O)N2C[C@H](N)C[C@@H](F)C2)cn2nc(-c3cc4cccc(OC[C@@H]5CCC(=O)N5)c4n3CC3CC3)c(C)c12
InChIInChI=1S/C32H37FN6O4/c1-18-29(36-39-14-21(11-27(42-2)30(18)39)32(41)37-15-22(33)12-23(34)16-37)25-10-20-4-3-5-26(31(20)38(25)13-19-6-7-19)43-17-24-8-9-28(40)35-24/h3-5,10-11,14,19,22-24H,6-9,12-13,15-17,34H2,1-2H3,(H,35,40)/t22-,23-,24+/m1/s1
InChIKeyCYFOPJXHNCFKBO-SMIHKQSGSA-N
XLogP3.85
TPSA116.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500588.68
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (5S)-5-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one (CID 156828919) is (5S)-5-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one is COc1cc(C(=O)N2C[C@H](N)C[C@@H](F)C2)cn2nc(-c3cc4cccc(OC[C@@H]5CCC(=O)N5)c4n3CC3CC3)c(C)c12.
What is the InChIKey of (5S)-5-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one?
The InChIKey is CYFOPJXHNCFKBO-SMIHKQSGSA-N. The full InChI is InChI=1S/C32H37FN6O4/c1-18-29(36-39-14-21(11-27(42-2)30(18)39)32(41)37-15-22(33)12-23(34)16-37)25-10-20-4-3-5-26(31(20)38(25)13-19-6-7-19)43-17-24-8-9-28(40)35-24/h3-5,10-11,14,19,22-24H,6-9,12-13,15-17,34H2,1-2H3,(H,35,40)/t22-,23-,24+/m1/s1.
What are the key properties of (5S)-5-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one?
(5S)-5-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one has a molecular weight of 588.68 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 156828919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).